ethyl 3-(2-fluoro-4-methoxyanilino)furo[3,2-c]pyridine-2-carboxylate

C17H15FN2O4 — CID 59704570

IUPACethyl 3-(2-fluoro-4-methoxyanilino)furo[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2ccncc2c1Nc1ccc(OC)cc1F
InChIInChI=1S/C17H15FN2O4/c1-3-23-17(21)16-15(11-9-19-7-6-14(11)24-16)20-13-5-4-10(22-2)8-12(13)18/h4-9,20H,3H2,1-2H3
InChIKeyQEDGDODZQHTMON-UHFFFAOYSA-N
MW330.32 g/mol
LogP3.90
Rot. Bonds5

About ethyl 3-(2-fluoro-4-methoxyanilino)furo[3,2-c]pyridine-2-carboxylate

ethyl 3-(2-fluoro-4-methoxyanilino)furo[3,2-c]pyridine-2-carboxylate (PubChem CID 59704570) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is ethyl 3-(2-fluoro-4-methoxyanilino)furo[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-fluoro-4-methoxyanilino)furo[3,2-c]pyridine-2-carboxylate
PubChem CID59704570
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Nameethyl 3-(2-fluoro-4-methoxyanilino)furo[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2ccncc2c1Nc1ccc(OC)cc1F
InChIInChI=1S/C17H15FN2O4/c1-3-23-17(21)16-15(11-9-19-7-6-14(11)24-16)20-13-5-4-10(22-2)8-12(13)18/h4-9,20H,3H2,1-2H3
InChIKeyQEDGDODZQHTMON-UHFFFAOYSA-N
XLogP3.90
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-fluoro-4-methoxyanilino)furo[3,2-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(2-fluoro-4-methoxyanilino)furo[3,2-c]pyridine-2-carboxylate (CID 59704570) is ethyl 3-(2-fluoro-4-methoxyanilino)furo[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(2-fluoro-4-methoxyanilino)furo[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(2-fluoro-4-methoxyanilino)furo[3,2-c]pyridine-2-carboxylate is CCOC(=O)c1oc2ccncc2c1Nc1ccc(OC)cc1F.
What is the InChIKey of ethyl 3-(2-fluoro-4-methoxyanilino)furo[3,2-c]pyridine-2-carboxylate?
The InChIKey is QEDGDODZQHTMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-3-23-17(21)16-15(11-9-19-7-6-14(11)24-16)20-13-5-4-10(22-2)8-12(13)18/h4-9,20H,3H2,1-2H3.
What are the key properties of ethyl 3-(2-fluoro-4-methoxyanilino)furo[3,2-c]pyridine-2-carboxylate?
ethyl 3-(2-fluoro-4-methoxyanilino)furo[3,2-c]pyridine-2-carboxylate has a molecular weight of 330.32 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-fluoro-4-methoxyanilino)furo[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 59704570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).